CID 2774519

2-(tert-butylthio)ethanamine

Structural Information

Molecular Formula

SMILES

CC(C)(C)SCCN

InChI

InChI=1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3

InChIKey

NXALBHIRLFDURB-UHFFFAOYSA-N

Compound name

2-tert-butylsulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 133.09251 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.09979	129.6
[M+Na]+	156.08173	136.5
[M-H]-	132.08523	129.7
[M+NH4]+	151.12633	151.9
[M+K]+	172.05567	135.1
[M+H-H2O]+	116.08977	125.1
[M+HCOO]-	178.09071	146.7
[M+CH3COO]-	192.10636	174.8
[M+Na-2H]-	154.06718	132.8
[M]+	133.09196	130.5
[M]-	133.09306	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe